FORBIDDEN ROTATIONAL AND ROVIBRATIONAL TRANSITIONS IN H-3+ - 1ST PRINCIPLES CALCULATIONS

被引：35

作者：

MILLER, S ^{[1
]}

TENNYSON, J ^{[1
]}

SUTCLIFFE, BT ^{[1
]}

机构：

[1] UNIV YORK, DEPT CHEM, YORK YO1 5DD, N YORKSHIRE, ENGLAND

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1990年 / 141卷 / 01期

关键词：

D O I：

10.1016/0022-2852(90)90281-T

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Calculations of the linestrengths and transition frequencies of the forbidden pure rotational spectrum of H3+ in the vibrationally excited ν2 state are presented. These transitions occur in the far-infrared region, and their observation may be complicated by ν1 - ν2 difference transitions. Examples of these are also given. Forbidden rovibrational transition frequencies and linestrengths have also been calculated in the frequency range 2000-3000 cm-1. The bands (ν2 + ν1) - ν2 and (2ν2 (l = 0) + ν1) - 2ν2 (l = 2) are found to be particularly strong. Possible phenomenological explanations for the observed line intensities are discussed. Two routes to obtaining the energy levels of the ν1 manifold of H3+ are suggested. © 1990.

引用

页码：104 / 117

页数：14

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